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2-{4'-[N.N-bis(Chloroethyl)amino]phenyl}-2-(acetoxymethyl)-1,3-dioxobenzocyclopent-2-ene
SpectraBase Compound ID Jd1hZlHNkWI
InChI InChI=1S/C22H21Cl2NO4/c1-15(26)29-14-22(20(27)18-4-2-3-5-19(18)21(22)28)16-6-8-17(9-7-16)25(12-10-23)13-11-24/h2-9H,10-14H2,1H3
InChIKey VIMJLRHWRLHXGR-UHFFFAOYSA-N
Mol Weight 434.32 g/mol
Molecular Formula C22H21Cl2NO4
Exact Mass 433.084764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRGOLXxMyjM
Name 2-ACETOXYMETHYL-2-[4-BIS(2-CHLOROETHYL)AMINOPHENYL]INDAN-1,3-DIONE
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Formula C22H21Cl2NO4
InChI InChI=1S/C22H21Cl2NO4/c1-15(26)29-14-22(20(27)18-4-2-3-5-19(18)21(22)28)16-6-8-17(9-7-16)25(12-10-23)13-11-24/h2-9H,10-14H2,1H3
InChIKey VIMJLRHWRLHXGR-UHFFFAOYSA-N
Instrument Name Bruker AC-200
Literature Reference L.M.PISARENKO, V.I.NIKULIN, N.N.SVESHNIKOV (1992) Izv.Akad.Nauk SSSR(Russ.Lang.): N11, 2609-2617.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d